6-nitro-4-(trifluoromethyl)pyridine-3-carbonitrile

C7H2F3N3O2 — CID 133097382

IUPAC6-nitro-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1cnc([N+](=O)[O-])cc1C(F)(F)F
InChIInChI=1S/C7H2F3N3O2/c8-7(9,10)5-1-6(13(14)15)12-3-4(5)2-11/h1,3H
InChIKeyRCQIHOUKQPSKSL-UHFFFAOYSA-N
MW217.11 g/mol
LogP1.88
Rot. Bonds1

About 6-nitro-4-(trifluoromethyl)pyridine-3-carbonitrile

6-nitro-4-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 133097382) has the molecular formula C7H2F3N3O2 and a molecular weight of 217.11 g/mol. Its IUPAC name is 6-nitro-4-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-nitro-4-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID133097382
Molecular FormulaC7H2F3N3O2
Molecular Weight217.11 g/mol
Exact Mass217.01
IUPAC Name6-nitro-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1cnc([N+](=O)[O-])cc1C(F)(F)F
InChIInChI=1S/C7H2F3N3O2/c8-7(9,10)5-1-6(13(14)15)12-3-4(5)2-11/h1,3H
InChIKeyRCQIHOUKQPSKSL-UHFFFAOYSA-N
XLogP1.88
TPSA79.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.11
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-bromo-2-nitropyridine-4-carbonitrile
CID 130822879
5-(difluoromethyl)-2-nitropyridine-4-carbonitrile
CID 118805197
5-methyl-2-nitropyridine-4-carbonitrile
CID 130882293
6-nitro-3-(trifluoromethyl)pyridine-2-carbonitrile
CID 133097281
2-bromo-5-nitro-3-(trifluoromethyl)benzonitrile
CID 171000342
6-[methyl(propyl)amino]-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 143050629
4-(difluoromethyl)-5-nitro-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 134675290
2-(cyanomethyl)-5-nitro-4-(trifluoromethyl)benzonitrile
CID 170996488
2-(chloromethyl)-4-nitro-5-(trifluoromethyl)benzonitrile
CID 171024448
5-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-2-nitropyridine
CID 153379618
ethane;2-methyl-5-(trifluoromethyl)pyridine-4-carbonitrile
CID 142280419
2-[4-cyano-3-(trifluoromethyl)phenyl]sulfanyl-5-nitropyridine-3-carboxamide
CID 133463753

Frequently Asked Questions

What is the IUPAC name of 6-nitro-4-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 6-nitro-4-(trifluoromethyl)pyridine-3-carbonitrile (CID 133097382) is 6-nitro-4-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 6-nitro-4-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 6-nitro-4-(trifluoromethyl)pyridine-3-carbonitrile is N#Cc1cnc([N+](=O)[O-])cc1C(F)(F)F.
What is the InChIKey of 6-nitro-4-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is RCQIHOUKQPSKSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2F3N3O2/c8-7(9,10)5-1-6(13(14)15)12-3-4(5)2-11/h1,3H.
What are the key properties of 6-nitro-4-(trifluoromethyl)pyridine-3-carbonitrile?
6-nitro-4-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 217.11 g/mol, XLogP of 1.88, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-nitro-4-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 133097382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).